N-(1-phenylethyl)-1-benzofuran-2-carboxamide

C17H15NO2 — CID 2788390

IUPACN-(1-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-12(13-7-3-2-4-8-13)18-17(19)16-11-14-9-5-6-10-15(14)20-16/h2-12H,1H3,(H,18,19)
InChIKeyGGKIXKQBHDVPAG-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.92
Rot. Bonds3

About N-(1-phenylethyl)-1-benzofuran-2-carboxamide

N-(1-phenylethyl)-1-benzofuran-2-carboxamide (PubChem CID 2788390) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(1-phenylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-1-benzofuran-2-carboxamide
PubChem CID2788390
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC NameN-(1-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-12(13-7-3-2-4-8-13)18-17(19)16-11-14-9-5-6-10-15(14)20-16/h2-12H,1H3,(H,18,19)
InChIKeyGGKIXKQBHDVPAG-UHFFFAOYSA-N
XLogP3.92
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-phenylethyl)-1-benzofuran-2-carboxamide (CID 2788390) is N-(1-phenylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-1-benzofuran-2-carboxamide is CC(NC(=O)c1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is GGKIXKQBHDVPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12(13-7-3-2-4-8-13)18-17(19)16-11-14-9-5-6-10-15(14)20-16/h2-12H,1H3,(H,18,19).
What are the key properties of N-(1-phenylethyl)-1-benzofuran-2-carboxamide?
N-(1-phenylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2788390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).